&INFO
Optimize Geometry tightly (and implictely also the wavefunction).
Prepare for 300K MD runs.
&END

&CPMD
    OPTIMIZE GEOMETRY XYZ
    HESSIAN UNIT

    CONVERGENCE ORBITALS
     1.0D-8
    CONVERGENCE GEOMETRY
     5.0D-6

    ODIIS NO_RESET=30
     5

    LBFGS NREM
      20
    PRINT LSCAL ON

    MAXSTEP
     8000 

    CENTER MOLECULE ON
&END

&DFT
  FUNCTIONAL BLYP
  GC-CUTOFF
   1.0E-06
&END

&SYSTEM
  POISSON SOLVER TUCKERMAN
  SYMMETRY
   0
  CELL
   25.0   1.0   1.0  0.0  0.0  0.0  
  CUTOFF
   70.0
&END

&ATOMS

ISOTOPES
  16.01
  1.008

*O_MT_BLYP.psp KLEINMAN-BYLANDER
   LMAX=P
   1
   10.0 10.0 10.0

*H_CVB_BLYP.psp KLEINMAN-BYLANDER
   LMAX=S
    2
   11.7  10.6  10.0
    8.3  10.5  10.0 

&END